(1R,2S,5R)-1-[2-(dimethylamino)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol

C14H29NO — CID 101131926

IUPAC(1R,2S,5R)-1-[2-(dimethylamino)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@@]1(O)CCN(C)C
InChIInChI=1S/C14H29NO/c1-11(2)13-7-6-12(3)10-14(13,16)8-9-15(4)5/h11-13,16H,6-10H2,1-5H3/t12-,13+,14+/m1/s1
InChIKeyXGLNLANFYQGZID-RDBSUJKOSA-N
MW227.39 g/mol
LogP2.76
Rot. Bonds4

About (1R,2S,5R)-1-[2-(dimethylamino)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol

(1R,2S,5R)-1-[2-(dimethylamino)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol (PubChem CID 101131926) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is (1R,2S,5R)-1-[2-(dimethylamino)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2S,5R)-1-[2-(dimethylamino)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
PubChem CID101131926
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name(1R,2S,5R)-1-[2-(dimethylamino)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@@]1(O)CCN(C)C
InChIInChI=1S/C14H29NO/c1-11(2)13-7-6-12(3)10-14(13,16)8-9-15(4)5/h11-13,16H,6-10H2,1-5H3/t12-,13+,14+/m1/s1
InChIKeyXGLNLANFYQGZID-RDBSUJKOSA-N
XLogP2.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R)-1-[2-(dimethylamino)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The IUPAC name of (1R,2S,5R)-1-[2-(dimethylamino)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol (CID 101131926) is (1R,2S,5R)-1-[2-(dimethylamino)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for (1R,2S,5R)-1-[2-(dimethylamino)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for (1R,2S,5R)-1-[2-(dimethylamino)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol is CC(C)[C@@H]1CC[C@@H](C)C[C@@]1(O)CCN(C)C.
What is the InChIKey of (1R,2S,5R)-1-[2-(dimethylamino)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The InChIKey is XGLNLANFYQGZID-RDBSUJKOSA-N. The full InChI is InChI=1S/C14H29NO/c1-11(2)13-7-6-12(3)10-14(13,16)8-9-15(4)5/h11-13,16H,6-10H2,1-5H3/t12-,13+,14+/m1/s1.
What are the key properties of (1R,2S,5R)-1-[2-(dimethylamino)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol?
(1R,2S,5R)-1-[2-(dimethylamino)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol has a molecular weight of 227.39 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R)-1-[2-(dimethylamino)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 101131926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).